N-[3-(5-Fluoro-2-phenethylamino-pyrimidin-4-yl)-benzyl]-N-piperidin-4-yl-methanesulfonamide

HCID 58603760
Substructure searchFind similar structures

Basic information

Standard SMILES
CS(=O)(=O)N(Cc1cccc(-c2nc(NCCc3ccccc3)ncc2F)c1)C1CCNCC1
InChIKey
SADNZJKCEMALOH-UHFFFAOYSA-N
Molecular formula
C25H30FN5O2S
Average molar mass
483.6 g/mol
Monoisotopic mass
483.21042455

Names & identifiers

Preferred name
N-[3-(5-Fluoro-2-phenethylamino-pyrimidin-4-yl)-benzyl]-N-piperidin-4-yl-methanesulfonamide
IUPAC
N-[[3-[5-fluoro-2-(2-phenylethylamino)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide

Names & synonyms

SCHEMBL1467694SADNZJKCEMALOH-UHFFFAOYSA-NN-[3-(5-Fluoro-2-phenethylamino-pyrimidin-4-yl)-benzyl]-N-piperidin-4-yl-methanesulfonamide

Database identifiers

PubChem CID
58603760

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
95.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
34

Related reactions

2 records
New reaction record

Linked notes

Loading…